3-(azepan-1-ylcarbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S/c1-3-18-8-10-19(11-9-18)27(2)33(31,32)20-12-13-23-21(16-20)24(29)22(17-26-23)25(30)28-14-6-4-5-7-15-28/h8-13,16-17H,3-7,14-15H2,1-2H3,(H,26,29)